MMsINC Database Search


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MMsINC code: MMs02302152

Type: Neutral
Formula: C₁₉H₂₆N+

SMILES:

[N+](C(Cc1ccccc1)c1ccccc1)(CC)(CC)C

InChI:

InChI=1/C19H26N/c1-4-20(3,5-2)19(18-14-10-7-11-15-18)16-17-12-8-6-9-13-17/h6-15,19H,4-5,16H2,1-3H3/q+1/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=367.576 kcal/mol

Physical Properties
Molecular Weight: 268.424 g/mol	logS: -3.60974	SlogP: 4.55227	Reactive groups: 0

Topological Properties
Globularity: 0.193054	Sterimol/B1: 2.4249	Sterimol/B2: 3.57265	Sterimol/B3: 4.2496
Sterimol/B4: 7.17007	Sterimol/L: 14.2269

Surface and Volume Properties
Accessible surface: 482.621	Positive charged surface: 311.933	Negative charged surface: 170.688	Volume: 290
Hydrophobic surface: 437.049	Hydrophilic surface: 45.572

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.